2-(4-ethoxy-3-methoxy-phenyl)-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate

Systemtic Name: 2-(4-ethoxy-3-methoxy-phenyl)-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 2-(4-ethoxy-3-methoxy-phenyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 2-(4-ethoxy-3-methoxyphenyl)-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 2-(4-ethoxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 5-(4-ethoxy-3-methoxy-phenyl)-2-keto-4-(5-methyl-2-furoyl)-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=C(O4)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=C(O4)C)OC

InChI

InChI=1S/C25H24N2O6/c1-4-32-18-10-8-17(12-20(18)31-3)22-21(23(28)19-9-7-15(2)33-19)24(29)25(30)27(22)14-16-6-5-11-26-13-16/h5-13,22,29H,4,14H2,1-3H3